| Identification | More | [Name]
3-Aminophenylboronic acid pinacol ester | [CAS]
210907-84-9 | [Synonyms]
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
3-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER
3-AMINOPHENYLBORONIC ACID PINACOL ESTER
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE 97%
3-Aminobenzeneboronic acid pinacol ester, 97% | [Molecular Formula]
C12H20BNO3 | [MDL Number]
MFCD03453668 | [Molecular Weight]
237.1 | [MOL File]
210907-84-9.mol |
| Chemical Properties | Back Directory | [Appearance]
light brown crystals or powder | [Melting point ]
90-94 °C (lit.) | [Boiling point ]
351.2±25.0 °C(Predicted) | [density ]
1.05±0.1 g/cm3(Predicted) | [storage temp. ]
Refrigerator (+4°C) | [solubility ]
very soluble in Methanol | [form ]
solid | [pka]
4.56±0.10(Predicted) | [color ]
white to brown | [Water Solubility ]
Insoluble | [InChI]
1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3 | [InChIKey]
YMXIIVIQLHYKOT-UHFFFAOYSA-N | [SMILES]
CC1(C)OB(OC1(C)C)c2cccc(N)c2 | [CAS DataBase Reference]
210907-84-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [TSCA ]
No | [HS Code ]
29310099 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
light brown crystals or powder | [Uses]
3-Aminophenylboronic acid pinacol ester can be used:
- As a starting material for the synthesis of 6-(hetero)arylthieno[3,2-b]pyridines, which are known to inhibit human tumor cells selectively.
- In the functionalization of deuteroporphyrin IX dimethyl ester through Suzuki-Miyaura coupling.
- To prepare benzo[d]oxazole based type-I FLT3-ITD inhibitors.
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